Analytical evaluation of three-center nuclear-attraction integrals over s-Slater orbitals for asymmetrical conformations of the centers

DOI10.1007/S10910-006-9221-7zbMath1195.92078OpenAlexW2039495032MaRDI QIDQ937617

Katrin Peuker, María Belén Ruiz

Publication date: 15 August 2008

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-006-9221-7

zbMATH Keywords

Slater orbitalsdifferent exponentsnuclear-attraction integrals

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)

Related Items (1)

Calculation of STOs electron repulsion integrals by ellipsoidal expansion and large-order approximations

Uses Software

• Maple

Cites Work

• Wave-Mechanical Treatment of the Li2 Molecule

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